3-chloranyl-N,N-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]aniline

Systemtic Name: 3-chloranyl-N,N-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]aniline Openeye Name: 3-chloro-N,N-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]aniline CAS Name: 3-chloro-N,N-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]aniline IUPAC Name: 3-chloro-N,N-dimethyl-4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]aniline Traditional Name: [3-chloro-4-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methyl]phenyl]-dimethyl-amine Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H30ClN3O2S/c1-24(2)20-8-7-19(22(23)15-20)17-26-12-4-11-25(13-14-26)16-18-5-9-21(10-6-18)29(3,27)28/h5-10,15H,4,11-14,16-17H2,1-3H3